SCHEMBL14747737

SCHEMBL14747737

CCOCCNCc1ccc(C)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
PDCD1 Q15116 1/20 0.39
RAD52 P43351 1/20 0.38
PAX8 Q06710 1/20 0.38
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL171901 0.84 L3MBTL1 (0.51) KDM4ESCN8AGAACD274PDCD1
SCHEMBL14747536 0.82 GAA (0.44) TDP1POLBALDH1A1TP53SCN8A
SCHEMBL20037934 0.80 GAA (0.43) KDM4ETDP1POLBALDH1A1TP53
SCHEMBL17888393 0.78 ALDH1A1 (0.43) KDM4ETDP1POLBALDH1A1TP53
SCHEMBL28103835 0.78 HRH4 (0.59) KDM4ESCN8ALMNASMN1; SMN2
SCHEMBL5833866 0.77 MC4R (0.45) KDM4EALDH1A1SCN8AGAACD274
SCHEMBL20999188 0.77 CD274 (0.55) SCN8AGAASMN1; SMN2CD274PDCD1
SCHEMBL7981959 0.77 GAA (0.43) KDM4ETDP1POLBALDH1A1TP53
SCHEMBL14213161 0.75 KDM4E (0.38) KDM4ETDP1THRBALDH1A1SCN8A
SCHEMBL487644 0.74 TSHR (0.39) POLBLMNAGAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed